1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol

C14H16O2 — CID 62499403

IUPAC1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol
SMILESCc1ccc(-c2ccc(C(C)O)o2)cc1C
InChIInChI=1S/C14H16O2/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8,11,15H,1-3H3
InChIKeyIFUCJDHNGHPCPY-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.62
Rot. Bonds2

About 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol

1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol (PubChem CID 62499403) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol
PubChem CID62499403
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol
SMILESCc1ccc(-c2ccc(C(C)O)o2)cc1C
InChIInChI=1S/C14H16O2/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8,11,15H,1-3H3
InChIKeyIFUCJDHNGHPCPY-UHFFFAOYSA-N
XLogP3.62
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-(4-bromophenyl)furan-2-yl]ethanol
CID 102192437
1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol
CID 107577593
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
1-[5-(3-fluoro-4-nitrophenyl)furan-2-yl]ethanol
CID 82844602
1-[5-(3-nitrophenyl)furan-2-yl]ethanol
CID 62499247
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
CID 103145667
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
1-[5-(2-chlorophenyl)furan-2-yl]ethanol
CID 62497927

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol (CID 62499403) is 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol is Cc1ccc(-c2ccc(C(C)O)o2)cc1C.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol?
The InChIKey is IFUCJDHNGHPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-4-5-12(8-10(9)2)14-7-6-13(16-14)11(3)15/h4-8,11,15H,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol?
1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)furan-2-yl]ethanol is sourced from PubChem (CID 62499403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).